2-chloro-4-(morpholin-2-ylmethylamino)benzamide

C12H16ClN3O2 — CID 115324268

IUPAC2-chloro-4-(morpholin-2-ylmethylamino)benzamide
SMILESNC(=O)c1ccc(NCC2CNCCO2)cc1Cl
InChIInChI=1S/C12H16ClN3O2/c13-11-5-8(1-2-10(11)12(14)17)16-7-9-6-15-3-4-18-9/h1-2,5,9,15-16H,3-4,6-7H2,(H2,14,17)
InChIKeySHWBNYLLYFGEDN-UHFFFAOYSA-N
MW269.73 g/mol
LogP0.84
Rot. Bonds4

About 2-chloro-4-(morpholin-2-ylmethylamino)benzamide

2-chloro-4-(morpholin-2-ylmethylamino)benzamide (PubChem CID 115324268) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-chloro-4-(morpholin-2-ylmethylamino)benzamide.

Molecular Properties

Compound Name2-chloro-4-(morpholin-2-ylmethylamino)benzamide
PubChem CID115324268
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name2-chloro-4-(morpholin-2-ylmethylamino)benzamide
SMILESNC(=O)c1ccc(NCC2CNCCO2)cc1Cl
InChIInChI=1S/C12H16ClN3O2/c13-11-5-8(1-2-10(11)12(14)17)16-7-9-6-15-3-4-18-9/h1-2,5,9,15-16H,3-4,6-7H2,(H2,14,17)
InChIKeySHWBNYLLYFGEDN-UHFFFAOYSA-N
XLogP0.84
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(morpholin-2-ylmethylamino)benzamide
CID 113287167
2-chloro-4-[(2-morpholin-2-ylacetyl)amino]benzamide
CID 66429113
N-(3,4-dichlorophenyl)-2-morpholin-2-ylacetamide
CID 66435697
2-chloro-4-(1,4-dioxan-2-ylmethylamino)benzenecarbothioamide
CID 62947117
2-chloro-4-[(4-ethylmorpholin-2-yl)methylamino]benzenecarbothioamide
CID 114400165
4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorobenzamide
CID 43789197
5-(morpholin-2-ylmethylamino)-3H-1,3-benzoxazol-2-one
CID 115237502
4,6-dimethyl-2-(morpholin-2-ylmethylamino)pyridine-3-carboxamide
CID 115324061
5-(morpholin-2-ylmethylamino)-1,3-dihydroindol-2-one
CID 115237456
4-chloro-2-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 114028076
N-(3-carbamoyl-4-chlorophenyl)morpholine-2-carboxamide;hydrochloride
CID 119711589
2-(morpholin-2-ylmethylamino)-5-nitropyridine-3-carboxamide
CID 115324274

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(morpholin-2-ylmethylamino)benzamide?
The IUPAC name of 2-chloro-4-(morpholin-2-ylmethylamino)benzamide (CID 115324268) is 2-chloro-4-(morpholin-2-ylmethylamino)benzamide.
What is the SMILES notation for 2-chloro-4-(morpholin-2-ylmethylamino)benzamide?
The canonical SMILES for 2-chloro-4-(morpholin-2-ylmethylamino)benzamide is NC(=O)c1ccc(NCC2CNCCO2)cc1Cl.
What is the InChIKey of 2-chloro-4-(morpholin-2-ylmethylamino)benzamide?
The InChIKey is SHWBNYLLYFGEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c13-11-5-8(1-2-10(11)12(14)17)16-7-9-6-15-3-4-18-9/h1-2,5,9,15-16H,3-4,6-7H2,(H2,14,17).
What are the key properties of 2-chloro-4-(morpholin-2-ylmethylamino)benzamide?
2-chloro-4-(morpholin-2-ylmethylamino)benzamide has a molecular weight of 269.73 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(morpholin-2-ylmethylamino)benzamide is sourced from PubChem (CID 115324268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).